- Preparation of azolecarboxamide derivatives as trkA receptor inhibitors, World Intellectual Property Organization, , ,
Cas no 955395-99-0 (4-Chloro-1-methyl-5-nitro-2(1H)-pyridinone)
955395-99-0 structure
Product Name:4-Chloro-1-methyl-5-nitro-2(1H)-pyridinone
CAS No:955395-99-0
MF:C6H5ClN2O3
MW:188.56850028038
CID:5672538
PubChem ID:57960584
Update Time:2023-09-12
4-Chloro-1-methyl-5-nitro-2(1H)-pyridinone Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL2077230
- DTXSID501267638
- 955395-99-0
- 4-Chloro-1-methyl-5-nitro-2(1H)-pyridinone
- 4-chloro-1-methyl-5-nitropyridin-2(1H)-one
- 2(1H)-Pyridinone, 4-chloro-1-methyl-5-nitro-
-
- Inchi： 1S/C6H5ClN2O3/c1-8-3-5(9(11)12)4(7)2-6(8)10/h2-3H,1H3
- InChI Key： XZWRKFDEXGMZJS-UHFFFAOYSA-N
- SMILES： ClC1=CC(N(C)C=C1[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 187.9988697g/mol
- Monoisotopic Mass: 187.9988697g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 302
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 66.1?2
Experimental Properties
- Density: 1.52±0.1 g/cm3(Predicted)
- Boiling Point: 235.3±40.0 °C(Predicted)
- pka: -4.54±0.62(Predicted)
4-Chloro-1-methyl-5-nitro-2(1H)-pyridinone Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Silver carbonate Solvents: Dichloromethane ; rt
Reference
4-Chloro-1-methyl-5-nitro-2(1H)-pyridinone Raw materials
4-Chloro-1-methyl-5-nitro-2(1H)-pyridinone Preparation Products
4-Chloro-1-methyl-5-nitro-2(1H)-pyridinone Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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